Task 38667031

Name test_1613-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5332_1
Workunit 31609702
Created 25 Oct 2026, 6:00:40 UTC
Sent 25 Oct 2026, 6:00:44 UTC
Report deadline 30 Oct 2026, 6:00:44 UTC
Received 25 Oct 2026, 7:14:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 45 min 38 sec
CPU time 41 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.67 MB
Peak swap size 9.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:29:24 (5252): wrapper (7.9.26016): starting
07:29:24 (5252): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
07:29:25 (5252): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:29:25 (5252): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
08:14:05 (5252): C:/Windows/system32/cmd.exe exited; CPU time 2488.890625
08:14:05 (5252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 33939677 bytes.
Dumping objects ->
{3835234} normal block at 0x000001713722DFF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001713722D730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001713722E0D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001713722D650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000017135604C40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000017137277F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001713728E5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835145} normal block at 0x00000171355FF180, 8 bytes long.
 Data: <  [5q   > 00 00 5B 35 71 01 00 00 
{3834542} normal block at 0x000001713728F180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000171355FED70, 8 bytes long.
 Data: <&#176;&#217;^5q   > B0 D9 5E 35 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000171356012E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000171355F65A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000017135606310, 16 bytes long.
 Data: <xi`5q           > 78 69 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000171356065E0, 16 bytes long.
 Data: <Pi`5q           > 50 69 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000171355FFBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000171356060E0, 16 bytes long.
 Data: <(i`5q           > 28 69 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017135605870, 16 bytes long.
 Data: < i`5q           > 00 69 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017135606540, 16 bytes long.
 Data: <&#216;h`5q           > D8 68 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017135605F00, 16 bytes long.
 Data: <&#176;h`5q           > B0 68 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000171356050A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000017135605B90, 16 bytes long.
 Data: <&#168;&#232;_5q           > A8 E8 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171355FFD90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000017135606130, 16 bytes long.
 Data: < &#232;_5q           > 80 E8 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017135606090, 16 bytes long.
 Data: <X&#232;_5q           > 58 E8 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017135605820, 16 bytes long.
 Data: <0&#232;_5q           > 30 E8 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017135605960, 16 bytes long.
 Data: < &#232;_5q           > 08 E8 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000171356064F0, 16 bytes long.
 Data: <&#224;&#231;_5q           > E0 E7 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000171356064A0, 16 bytes long.
 Data: <&#184;&#231;_5q           > B8 E7 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000171355FFC10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000017135605FF0, 16 bytes long.
 Data: < &#231;_5q           > 90 E7 5F 35 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000171355FE790, 320 bytes long.
 Data: <&#240;_`5q    &#252;_5q   > F0 5F 60 35 71 01 00 00 10 FC 5F 35 71 01 00 00 
{276} normal block at 0x0000017135605780, 16 bytes long.
 Data: < h`5q           > 90 68 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017135605EB0, 16 bytes long.
 Data: <hh`5q           > 68 68 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017135600690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000017135605730, 16 bytes long.
 Data: <@h`5q           > 40 68 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017135600090, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000017135606590, 16 bytes long.
 Data: < g`5q           > 88 67 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017135605C80, 16 bytes long.
 Data: <`g`5q           > 60 67 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000171356056E0, 16 bytes long.
 Data: <8g`5q           > 38 67 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017135605C30, 16 bytes long.
 Data: < g`5q           > 10 67 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171356057D0, 16 bytes long.
 Data: <&#232;f`5q           > E8 66 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017135606450, 16 bytes long.
 Data: <&#192;f`5q           > C0 66 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017135605E10, 16 bytes long.
 Data: <&#176;L`5q           > B0 4C 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017135604CB0, 40 bytes long.
 Data: < ^`5q     '7q   > 10 5E 60 35 71 01 00 00 80 7F 27 37 71 01 00 00 
{262} normal block at 0x0000017135606270, 16 bytes long.
 Data: <&#160;f`5q           > A0 66 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000171356059B0, 16 bytes long.
 Data: <xf`5q           > 78 66 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171355FFF70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000017135606040, 16 bytes long.
 Data: <Pf`5q           > 50 66 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017135606650, 992 bytes long.
 Data: <@``5q   p&#255;_5q   > 40 60 60 35 71 01 00 00 70 FF 5F 35 71 01 00 00 
{94} normal block at 0x0000017135600330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000171355FF6D0, 16 bytes long.
 Data: <0P`5q           > 30 50 60 35 71 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000017135605030, 40 bytes long.
 Data: <&#208;&#246;_5q   0 `5q   > D0 F6 5F 35 71 01 00 00 30 03 60 35 71 01 00 00 
{71} normal block at 0x00000171355FFA40, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000171355FF2C0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000171355FF9A0, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000171355FEF00, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000171355FF770, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000171355FEB90, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000171355FF590, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000171355FEE60, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000171355FF8B0, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000171355FF810, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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